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CHEBI:84151 - 1-octadecanoyl-2-(6Z,9Z,12Z,15Z,18Z-docosapentaenoyl)-sn-glycero-3- phosphocholine

Default Structure
ChEBI IDCHEBI:84151
ChEBI Name1-octadecanoyl-2-(6Z,9Z,12Z,15Z,18Z-docosapentaenoyl)-sn-glycero-3- phosphocholine
Stars
ASCII Name1-octadecanoyl-2-(6Z,9Z,12Z,15Z,18Z-docosapentaenoyl)-sn-glycero-3- phosphocholine
DefinitionA phosphatidylcholine 40:5 in which the acyl groups at C-1 and C-2 are octadecanoyl and (6Z,9Z,12Z,15Z,18Z)-docosapentaenoyl respectively.
Last Modified6 October 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC48H86NO8P
Net Charge0
Average Mass836.189
Monoisotopic Mass835.60911
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h10,12,16,18,22-23,25,27,31,33,46H,6-9,11,13-15,17,19-21,24,26,28-30,32,34-45H2,1-5H3/b12-10-,18-16-,23-22-,27-25-,33-31-/t46-/m1/s1
InChIKeyBZJUFPJWLUOEOG-GXXPQHMISA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-octadecanoyl-2-(6Z,9Z,12Z,15Z,18Z-docosapentaenoyl)-sn-glycero-3- phosphocholine (CHEBI:84151) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-(6Z,9Z,12Z,15Z,18Z-docosapentaenoyl)-sn-glycero-3- phosphocholine (CHEBI:84151) is a phosphatidylcholine (18:0/22:5) (CHEBI:90462)
1-octadecanoyl-2-(6Z,9Z,12Z,15Z,18Z-docosapentaenoyl)-sn-glycero-3- phosphocholine (CHEBI:84151) is a phosphatidylcholine 40:5 (CHEBI:64524)
IUPAC Name 
(2R)-2-[(6Z,9Z,12Z,15Z,18Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC 18:0/22:5(6Z,9Z,12Z,15Z,18Z)ChEBI
PC(18:0/22:5(6Z,9Z,12Z,15Z,18Z))ChEBI
phosphatidylcholine(18:0/22:5(6Z,9Z,12Z,15Z,18Z))ChEBI
Citations